SCHEMBL7619175

SCHEMBL7619175

O=C(CC1CN(c2cc(Cl)nc(-n3ccnc3)n2)CCN1C(=O)NC1CCCCC1)NCC1=Cc2occc2OC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7237007 0.85 NOS2 (0.49) NOS2
SCHEMBL5192011 0.84 NOS2 (0.70) NOS2
SCHEMBL5195094 0.84 NOS2 (0.66) NOS2
SCHEMBL7619182 0.82 NOS2 (0.48) NOS2
SCHEMBL5190122 0.77 NOS2 (0.60) NOS2
SCHEMBL5192975 0.74 NOS2 (0.57) NOS2
SCHEMBL5212653 0.74 NOS2 (0.62) NOS2
SCHEMBL5190110 0.73 NOS2 (0.71) NOS2
SCHEMBL5194605 0.73 NOS2 (0.85) NOS2
SCHEMBL5189937 0.72 NOS2 (0.71) NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US disclosed